3-[5-[[3-fluoro-1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]-1,3,4-thiadiazol-2-yl]benzamide

C19H17F2N5OS — CID 70974755

About 3-[5-[[3-fluoro-1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]-1,3,4-thiadiazol-2-yl]benzamide

3-[5-[[3-fluoro-1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]-1,3,4-thiadiazol-2-yl]benzamide (PubChem CID 70974755) has the molecular formula C19H17F2N5OS and a molecular weight of 401.44 g/mol. Its IUPAC name is 3-[5-[[3-fluoro-1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]-1,3,4-thiadiazol-2-yl]benzamide.

Molecular Properties

• Compound Name: 3-[5-[[3-fluoro-1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]-1,3,4-thiadiazol-2-yl]benzamide
• PubChem CID: 70974755
• Molecular Formula: C19H17F2N5OS
• Molecular Weight: 401.44 g/mol
• Exact Mass: 401.11
• IUPAC Name: 3-[5-[[3-fluoro-1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]-1,3,4-thiadiazol-2-yl]benzamide
• SMILES: NC(=O)c1cccc(-c2nnc(NCC3(c4ncccc4F)CC(F)C3)s2)c1
• InChI: InChI=1S/C19H17F2N5OS/c20-13-8-19(9-13,15-14(21)5-2-6-23-15)10-24-18-26-25-17(28-18)12-4-1-3-11(7-12)16(22)27/h1-7,13H,8-10H2,(H2,22,27)(H,24,26)
• InChIKey: GGTZTFITQCRKOE-UHFFFAOYSA-N
• XLogP: 3.32
• TPSA: 93.79 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	401.44
LogP ≤ 5	3.32
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 3-[5-[[3-fluoro-1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]-1,3,4-thiadiazol-2-yl]benzamide?

The IUPAC name of 3-[5-[[3-fluoro-1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]-1,3,4-thiadiazol-2-yl]benzamide (CID 70974755) is 3-[5-[[3-fluoro-1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]-1,3,4-thiadiazol-2-yl]benzamide.

What is the SMILES notation for 3-[5-[[3-fluoro-1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]-1,3,4-thiadiazol-2-yl]benzamide?

The canonical SMILES for 3-[5-[[3-fluoro-1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]-1,3,4-thiadiazol-2-yl]benzamide is NC(=O)c1cccc(-c2nnc(NCC3(c4ncccc4F)CC(F)C3)s2)c1.

What is the InChIKey of 3-[5-[[3-fluoro-1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]-1,3,4-thiadiazol-2-yl]benzamide?

The InChIKey is GGTZTFITQCRKOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F2N5OS/c20-13-8-19(9-13,15-14(21)5-2-6-23-15)10-24-18-26-25-17(28-18)12-4-1-3-11(7-12)16(22)27/h1-7,13H,8-10H2,(H2,22,27)(H,24,26).

What are the key properties of 3-[5-[[3-fluoro-1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]-1,3,4-thiadiazol-2-yl]benzamide?

3-[5-[[3-fluoro-1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]-1,3,4-thiadiazol-2-yl]benzamide has a molecular weight of 401.44 g/mol, XLogP of 3.32, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[5-[[3-fluoro-1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]-1,3,4-thiadiazol-2-yl]benzamide is sourced from PubChem (CID 70974755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).